Chem
J-GLOBAL ID:200907046080736355   Nikkaji number:J1.710.502G

(1R)-3-Isopropyl-4β-formyl-7β-methyl-8aβ-[5-(morpholinomethyl)-2-isoxazoline-3-yl]-1α,4-methano-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-s-indacene-3aβ-carboxylic acid

(1R)-3-イソプロピル-4β-ホルミル-7β-メチル-8aβ-[5-(モルホリノメチル)-2-イソオキサゾリン-3-イル]-1α,4-メタノ-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-s-インダセン-3aβ-カルボン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H38N2O5
Molecular formula furigana: C27-H38-N2-O5
Molecular weight: 470.610
InChI: InChI=1S/C27H38N2O5/c1-16(2)22-10-18-12-25(15-30)21-5-4-17(3)20(21)13-26(18,27(22,25)24(31)32)23-11-19(34-28-23)14-29-6-8-33-9-7-29/h10,15-21H,4-9,11-14H2,1-3H3,(H,31,32)/t17-,18+,19?,20-,21-,25+,26-,27+/m1/s1
InChI key: SKPMFGPCOHXAOY-OTJCAJAYSA-N
SMILES: CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NOC(CN4CCOCC4)C2)[C@]13C(=O)O
Systematic name  (3):
  • (1R)-3-イソプロピル-4β-ホルミル-7β-メチル-8aβ-[5-(モルホリノメチル)-2-イソオキサゾリン-3-イル]-1α,4-メタノ-1,3a,4,4aβ,5,6,7,7aα,8,8a-デカヒドロ-s-インダセン-3aβ-カルボン酸
  • (1R,2S,4R,5R,8R,9S,11R)-9-ホルミル-5-メチル-2-{5-[(モルホリン-4-イル)メチル]-4,5-ジヒドロ-1,2-オキサゾール-3-イル}-13-(プロパン-2-イル)テトラシクロ[7.4.0.02,11.04,8]トリデカ-12-エン-1-カルボン酸
  • (1R,2S,4R,5R,8R,9S,11R)-9-formyl-5-methyl-2-{5-[(morpholin-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-13-(propan-2-yl)tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Other name (1):
  • (1R)-3-Isopropyl-4β-formyl-7β-methyl-8aβ-[5-(morpholinomethyl)-2-isoxazoline-3-yl]-1α,4-methano-1,3a,4,4aβ,5,6,7,7aα,8,8a-decahydro-s-indacene-3aβ-carboxylic acid
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